CID 19070630

N-cyclopropyl-n-methylcarbamoyl chloride

Structural Information

Molecular Formula
C5H8ClNO
SMILES
CN(C1CC1)C(=O)Cl
InChI
InChI=1S/C5H8ClNO/c1-7(5(6)8)4-2-3-4/h4H,2-3H2,1H3
InChIKey
LDSGUMIQVUMQIM-UHFFFAOYSA-N
Compound name
N-cyclopropyl-N-methylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

133.02943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.03671 123.3
[M+Na]+ 156.01865 132.8
[M-H]- 132.02215 129.4
[M+NH4]+ 151.06325 141.5
[M+K]+ 171.99259 131.0
[M+H-H2O]+ 116.02669 118.3
[M+HCOO]- 178.02763 144.3
[M+CH3COO]- 192.04328 179.5
[M+Na-2H]- 154.00410 129.3
[M]+ 133.02888 127.5
[M]- 133.02998 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe